(3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C14H12N2O7 MolecularWeight: 320.25428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H12N2O7/c1-7-10(8(2)23-15-7)5-20-14(17)9-3-12-13(22-6-21-12)4-11(9)16(18)19/h3-4H,5-6H2,1-2H3